Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3117753 | 0.87 | TRPA1 (0.46) | ALDH1A1CYP3A4CA2CA1LMNA | |
| SCHEMBL1953279 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2CA1EGFR | |
| SCHEMBL1914909 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CA2CA1CA12 | |
| SCHEMBL8538126 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CA2CA1LMNA | |
| SCHEMBL11332569 | 0.80 | ERN1 (0.50) | ALDH1A1CYP3A4CA2CA1LMNA | |
| SCHEMBL5680576 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CA2CA1EGFR | |
| SCHEMBL10333062 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2CA1EGFR | |
| SCHEMBL387883 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2CA1EGFR | |
| SCHEMBL8340582 | 0.73 | TRPA1 (0.46) | ALDH1A1CYP3A4CA2CA1EGFR | |
| SCHEMBL27983245 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CYP3A4RECQLTDP1TRPA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658836-A | Preparation method of diethyl amino hydroxyl benzoyl hexyl benzoate | 利安隆（中卫）新材料有限公司 | 2024-03-08 | — | — | CN | disclosed |